Cyclohexanol, 2-iodo-, (1R,2R)-

C6H11IO — CID 10889589

IUPACtrans-(1R,2R)-2-iodocyclohexan-1-ol
SMILESC1CC[C@H]([C@@H](C1)O)I
InChIInChI=1S/C6H11IO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyYSLIEJFPLGXOBP-PHDIDXHHSA-N
MW226.06 g/mol
LogP2.10
Rot. Bonds

About Cyclohexanol, 2-iodo-, (1R,2R)-

Cyclohexanol, 2-iodo-, (1R,2R)- (PubChem CID 10889589) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is trans-(1R,2R)-2-iodocyclohexan-1-ol.

Molecular Properties

Compound NameCyclohexanol, 2-iodo-, (1R,2R)-
PubChem CID10889589
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Nametrans-(1R,2R)-2-iodocyclohexan-1-ol
SMILESC1CC[C@H]([C@@H](C1)O)I
InChIInChI=1S/C6H11IO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyYSLIEJFPLGXOBP-PHDIDXHHSA-N
XLogP2.10
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity74

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanol
CID 7966
(2H12)Cyclohexanol
CID 2723969
Cyclohexan-d11-ol
CID 12198348
Cyclohexanol-1-13C
CID 16213541
2-Iodocyclohexan-1-ol
CID 182639
1-Iodohexan-2-ol
CID 10868036
Cyclohexan-D-ol
CID 12198345
6-Iodo-1-hexanol
CID 13089081
Cyclohexan-4,4-d2-ol
CID 143270
trans-(1S,2S)-2-iodocyclohexan-1-ol
CID 11096287
Cyclohexyloxidanium
CID 14004324
Cyclohexanol-water
CID 17858755

Frequently Asked Questions

What is the IUPAC name of Cyclohexanol, 2-iodo-, (1R,2R)-?
The IUPAC name of Cyclohexanol, 2-iodo-, (1R,2R)- (CID 10889589) is trans-(1R,2R)-2-iodocyclohexan-1-ol.
What is the SMILES notation for Cyclohexanol, 2-iodo-, (1R,2R)-?
The canonical SMILES for Cyclohexanol, 2-iodo-, (1R,2R)- is C1CC[C@H]([C@@H](C1)O)I.
What is the InChIKey of Cyclohexanol, 2-iodo-, (1R,2R)-?
The InChIKey is YSLIEJFPLGXOBP-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11IO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of Cyclohexanol, 2-iodo-, (1R,2R)-?
Cyclohexanol, 2-iodo-, (1R,2R)- has a molecular weight of 226.06 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexanol, 2-iodo-, (1R,2R)- is sourced from PubChem (CID 10889589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).